Dataset

11[1]

This dataset contains NMR spectra obtained for the sample -11 date: 2021-06-16T02:06:06.000Z isFt: true name: 11/1 phc0: -177.0467 phc1: 14.57961 type: NMR Spectrum DECIM: 3328 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TOPSPIN Version 3.2 DSPFVS: 20 nucleus: 1H reverse: false solvent: CDCl3 dimension: 1 increment: 6.674416944890034 isComplex: true probeName: 5 mm PABBO BB-1H/D Z-GRD Z104275/0162 experiment: 1d groupDelay: 67.9842681884766 temperature: 296.6 spectrumSize: 65536 baseFrequency: 300.13 fieldStrength: 7.049031799154046 numberOfScans: 32 pulseSequence: zg30 spectralWidth: 20.0232508346701 numberOfPoints: 4 relaxationTime: 1 acquisitionTime: 0.0002495999999999998 frequencyOffset: 1853.4256080329214 originFrequency: 300.131853425608 pulseStrength90: 16666.666666666668 experimentNumber: 1 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2021-06-16T02:09:26.000Z isFt: true name: 11/2 phc0: -125.5559 phc1: 42.33107 type: NMR Spectrum DECIM: 1109.33333333333 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TOPSPIN Version 3.2 DSPFVS: 20 nucleus: 13C reverse: false solvent: CDCl3 dimension: 1 increment: 0.8470596717255674 isComplex: true probeName: 5 mm PABBO BB-1H/D Z-GRD Z104275/0162 experiment: 1d groupDelay: 67.9881286621094 temperature: 296.8 spectrumSize: 32768 baseFrequency: 75.467748526 fieldStrength: 7.047530227684906 numberOfScans: 4713 pulseSequence: zgpg30 spectralWidth: 238.87082742661 numberOfPoints: 283 relaxationTime: 2 acquisitionTime: 0.007820799999999987 frequencyOffset: 7546.41927881039 originFrequency: 75.4752949452788 pulseStrength90: 26315.78947368421 experimentNumber: 2 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1

Chemical Information

InChI	InChI=1S/C22H23NO4/c1-14(2)13-19-23-21(16-7-11-18(26-4)12-8-16)20(22(24)27-19)15-5-9-17(25-3)10-6-15/h5-12,14H,13H2,1-4H3
SMILES	COC1=CC=C(C2=C(C3=CC=C(OC)C=C3)C(=O)OC(CC(C)C)=N2)C=C1
InChI Key	KJGUJJCUPXMZPA-UHFFFAOYSA-N

Data and Resources

11[1]HTML

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Metadata Information

Field	Value
DOI	10.57992/nmrxiv.p94.s841.d4137
License URL	https://creativecommons.org/licenses/by-nc-sa/4.0/legalcode
Source	https://nmrxiv.org/D4137
Version
Author	Schweitzer C, Schmidt R.
Maintainer
Language	english
MetadataPublished	2025-03-07T08:24:17.000000Z
Related Molecule

Field	Value
Measurement Technique	1H nuclear magnetic resonance spectroscopy
Measurement Variables	NMR solvent : CDCl3 acquisition nucleus : ['1H'] NMR spectrum by dimensionality : 1 NMR probe : 5 mm PABBO BB-1H/D Z-GRD Z104275/0162 Temperature : 296.6 K magnetic field strength : 7.049031799154046 Tesla number of scans : 32 scans nuclear magnetic resonance pulse sequence : zg30 Spectral Width : 20.0232508346701 number of data points : 4 points relaxation time measurement : 1 seconds

Data-Source Molecule ID	Data-Source
No additional information available for this Dataset.